Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.2611   -0.0751   -0.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -0.0558    0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147   -0.0210    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4015   -0.0076   -0.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9545    0.0260   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526    0.0316    1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683    0.0574    2.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4999    0.0019    1.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7434   -1.1983   -0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6498    1.2476   -0.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3283   -0.1005   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6305   -0.0653   -1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.0659    1.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6872   -1.1710    0.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1888   -2.1064   -0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0370   -1.1903   -1.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896    1.7476    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.9532   -1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    1.9918   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers